2-(dimethylamino)-2-quinolin-3-ylbutanoic acid

C15H18N2O2 — CID 118221775

IUPAC2-(dimethylamino)-2-quinolin-3-ylbutanoic acid
SMILESCCC(C(=O)O)(c1cnc2ccccc2c1)N(C)C
InChIInChI=1S/C15H18N2O2/c1-4-15(14(18)19,17(2)3)12-9-11-7-5-6-8-13(11)16-10-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyAWOSSLNQPSIKHG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds4

About 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid

2-(dimethylamino)-2-quinolin-3-ylbutanoic acid (PubChem CID 118221775) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-quinolin-3-ylbutanoic acid
PubChem CID118221775
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(dimethylamino)-2-quinolin-3-ylbutanoic acid
SMILESCCC(C(=O)O)(c1cnc2ccccc2c1)N(C)C
InChIInChI=1S/C15H18N2O2/c1-4-15(14(18)19,17(2)3)12-9-11-7-5-6-8-13(11)16-10-12/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyAWOSSLNQPSIKHG-UHFFFAOYSA-N
XLogP2.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-quinolin-3-ylpropan-1-ol
CID 64918922
3-(4-ethylsulfanyl-2-methylbutan-2-yl)quinoline
CID 167157255
N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
CID 174934752
4-methyl-4-quinolin-3-ylpentan-2-amine
CID 64718063
2-[acetyl(methyl)amino]-2-phenylbutanoic acid
CID 63701928
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
2-[methyl(quinolin-3-ylcarbamoyl)amino]acetic acid
CID 55115598
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
CID 81023267

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid?
The IUPAC name of 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid (CID 118221775) is 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid is CCC(C(=O)O)(c1cnc2ccccc2c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid?
The InChIKey is AWOSSLNQPSIKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-15(14(18)19,17(2)3)12-9-11-7-5-6-8-13(11)16-10-12/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid?
2-(dimethylamino)-2-quinolin-3-ylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-quinolin-3-ylbutanoic acid is sourced from PubChem (CID 118221775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).